Target-templated <i>de novo</i> design of macrocyclic <scp>d</scp>-/<scp>l</scp>-peptides: discovery of drug-like inhibitors of PD-1
Salvador Guardiola, Mónica Varese, Xavier Roig, Macarena Sánchez‐Navarro, Jesús García, Ernest Giralt
Abstract
<italic>In silico</italic> design of heterochiral cyclic peptides that bind to a specific surface patch on the target protein (PD-1, in this case) and disrupt protein–protein interactions.
Topics & Concepts
ChemistryDrug discoveryCyclic peptideSmall moleculeComputational biologyCombinatorial chemistryPeptideStereochemistryBiochemistryBiologyPeptidase Inhibition and AnalysisChemical Synthesis and AnalysisComputational Drug Discovery Methods